⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9556 | 0.97 | — | — | |
| SCHEMBL22335953 | 0.83 | — | — | |
| SCHEMBL6484347 | 0.77 | HTT (0.37) | — | |
| SCHEMBL15285084 | 0.75 | — | — | |
| SCHEMBL12640036 | 0.73 | MMP13 (0.34) | — | |
| SCHEMBL19658584 | 0.70 | — | — | |
| SCHEMBL19986236 | 0.69 | — | — | |
| SCHEMBL18361635 | 0.69 | VNN1 (0.39) | — | |
| SCHEMBL17784152 | 0.68 | SCN9A (0.38) | — | |
| SCHEMBL101485 | 0.68 | ALDH1A1 (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2912031-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |
| US-9561212-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-07 | — | — | US | disclosed |
| US-9561212-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-07 | — | — | US | disclosed |
| US-9546160-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-01-17 | — | — | US | disclosed |
| US-20160338999-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-11-24 | — | — | US | disclosed |
| US-20160338999-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-11-24 | — | — | US | disclosed |
| US-20150252028-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-09-10 | — | — | US | disclosed |
| WO-2014065791-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-05-01 | — | — | WO | disclosed |
| US-20130121957-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2013-05-16 | — | — | US | disclosed |